2-propoxy-1,3-thiazole

C6H9NOS — CID 59113532

IUPAC2-propoxy-1,3-thiazole
SMILESCCCOc1nccs1
InChIInChI=1S/C6H9NOS/c1-2-4-8-6-7-3-5-9-6/h3,5H,2,4H2,1H3
InChIKeyAYUFQPRXSHLHGG-UHFFFAOYSA-N
MW143.21 g/mol
LogP1.93
Rot. Bonds3

About 2-propoxy-1,3-thiazole

2-propoxy-1,3-thiazole (PubChem CID 59113532) has the molecular formula C6H9NOS and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-propoxy-1,3-thiazole.

Molecular Properties

Compound Name2-propoxy-1,3-thiazole
PubChem CID59113532
Molecular FormulaC6H9NOS
Molecular Weight143.21 g/mol
Exact Mass143.04
IUPAC Name2-propoxy-1,3-thiazole
SMILESCCCOc1nccs1
InChIInChI=1S/C6H9NOS/c1-2-4-8-6-7-3-5-9-6/h3,5H,2,4H2,1H3
InChIKeyAYUFQPRXSHLHGG-UHFFFAOYSA-N
XLogP1.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-1,3-thiazole?
The IUPAC name of 2-propoxy-1,3-thiazole (CID 59113532) is 2-propoxy-1,3-thiazole.
What is the SMILES notation for 2-propoxy-1,3-thiazole?
The canonical SMILES for 2-propoxy-1,3-thiazole is CCCOc1nccs1.
What is the InChIKey of 2-propoxy-1,3-thiazole?
The InChIKey is AYUFQPRXSHLHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS/c1-2-4-8-6-7-3-5-9-6/h3,5H,2,4H2,1H3.
What are the key properties of 2-propoxy-1,3-thiazole?
2-propoxy-1,3-thiazole has a molecular weight of 143.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-1,3-thiazole is sourced from PubChem (CID 59113532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).